PDB ligand accession: CT6
DrugBank: DB07595
PubChem:
ChEMBL: n/a
InChI Key: WSIQKQLAGWVKSL-UHFFFAOYSA-O
SMILES: c1cc(cc(c1)Br)c2cc(n3c(n2)ccn3)NCc4ccncc4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyrimidines and pyrimidine derivatives
- Class: Diazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2C68 | Download | Experimental | e2c68A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |